Releases: lmmentel/mendeleev
Releases · lmmentel/mendeleev
v1.0.0
What's Changed
- [MNT] Switch to PyPI Trusted Publishing by @lmmentel in #220
- [ENH] Add price per kg for elements by @lmmentel in #221
- [DOC] Add CONTRIBUTING.md and CODE_OF_CONDUCT.md by @lmmentel in #222
- [DOC] Formatting corrections for data docs by @lmmentel in #223
- [MNT] Add coverage print to CI by @lmmentel in #224
- [ENH] Add
isotope
method to access a single isotope from Element by @lmmentel in #225 - [FIX] Replace stored atomic volumes with computed ones by @lmmentel in #227
- [ENH] Update nuclear g-factor data by @lmmentel in #230
- [ENH] Update nuclear electric quadrupole moment data by @lmmentel in #231
- [MNT] Refactor and speed up Sanderson's electronegativity calculation by @lmmentel in #233
- [DOC] Add contributor's guide to the docs by @lmmentel in #234
- [MNT] Remove deprecated code and columns by @lmmentel in #235
- [ENH] Refactor
__repr__
toReprMixin
for all models by @lmmentel in #236
Full Changelog: v0.20.1...1.0.0
v0.20.1
v0.20.0
What's Changed
- [MNT] Add function to update model data from dataframe by @lmmentel in #207
- [ENH] Add Robles-Bartolotti and Gunnarsson-Lundqvist electronegativities by @lmmentel in #208
- [ENH] Add supply risk attributes from RSC by @lmmentel in #209
- [MNT] Add missing migration for supply risk attributes by @lmmentel in #210
- [MNT] Automating rendering documentation tables by @lmmentel in #211
- [FIX] Correct melting and boiling points for Carbon allotropes by @lmmentel in #214
- [MNT] Deprecate Element.annotation by @lmmentel in #215
- [MNT] Include python 3.13 in CI testing matrix by @lmmentel in #191
- [MNT] Increase test coverage by @lmmentel in #216
Full Changelog: v0.19.0...v0.20.0
v0.19.0
What's Changed
- [FIX] Correct the electronic configuration for Lr by @lmmentel in #190
- [FIX] Typo in changelog by @lmmentel in #196
- [MNT] Add dependency caching in CI by @lmmentel in #197
- [MNT] Improve performance of
fetch_electronegativity
by @lmmentel in #198 - [MNT] Bump versions of dev dependencies by @lmmentel in #200
- [MNT] Add pytest-xdist to dev deps and configure to use all cores by @lmmentel in #201
- [ENH] Update ionization energy data and metadata from NIST ASD by @lmmentel in #192
- [DOC] Update docs for atomic scattering factor by @lmmentel in #203
- [FIX] Update values of oxidation states by @lmmentel in #202
- [ENH] Add Miedema's scale of electronegativity by @lmmentel in #204
- [ENH] Improve data export by @lmmentel in #205
- [FIX] Fix footnotes on data doc page by @lmmentel in #206
Full Changelog: v0.18.1...v0.19.0
v0.18.1
Full Changelog: v0.18.0...v0.18.1
v0.18.0
What's Changed
- Bump tornado from 6.4 to 6.4.1 by @dependabot in #166
- Bump setuptools from 69.2.0 to 70.0.0 by @dependabot in #172
- Bump zipp from 3.18.1 to 3.19.1 by @dependabot in #170
- Bump certifi from 2024.2.2 to 2024.7.4 by @dependabot in #169
- Bump urllib3 from 2.2.1 to 2.2.2 by @dependabot in #167
- [ENH] Add atomic scattering factors by @lmmentel in #174
- [DOC] Update data documentation by @lmmentel in #175
- Bump jupyterlab from 4.2.4 to 4.2.5 by @dependabot in #176
- [DOC] Add api docs for the PhaseTransition model by @lmmentel in #181
- [DOC] Add
phasetransitions
table to data access docs by @lmmentel in #183 - [DOC] Correct the data export instructions by @lmmentel in #184
- [DOC] Add metadata on PhaseTransition and update docs by @lmmentel in #185
- [DOC] Update tutorial notebooks by @lmmentel in #187
Full Changelog: v0.17.0...v0.18.0
v0.17.0
What's Changed
- Add data export to various formats by @lmmentel in #151
- Create metadata table for stored properties by @lmmentel in #156
- Update Isotope.half_life_unit values by @lmmentel in #160
- Add section for alternative implementation of mendeleev to README by @lmmentel in #163
- Add Mendeleev.jl to README by @lmmentel in #164
- Use read-only SQLite connection by @jan-janssen in #165
- Fix fetch_table to be compatible across major pandas and sqlalchemy versions by @lmmentel in #159
New Contributors
- @jan-janssen made their first contribution in #165
Full Changelog: v0.16.2...v0.17.0
v0.16.2
What's Changed
- Fix ImportErrors not being raised by @lmmentel in #150
- Bump requests from 2.31.0 to 2.32.0 by @dependabot in #154
Full Changelog: v0.16.1...v0.16.2
v0.16.1
What's Changed
- Bump jinja2 from 3.1.3 to 3.1.4 by @dependabot in #146
- Fix import error by @lmmentel in #148
Full Changelog: v0.16.0...v0.16.1
v0.16.0
What's Changed
- Bump jupyterlab from 3.6.6 to 3.6.7 by @dependabot in #137
- Bump jinja2 from 3.1.2 to 3.1.3 by @dependabot in #136
- Bump pillow from 10.1.0 to 10.2.0 by @dependabot in #138
- Adopt ruff and pre-commit for linting and formatting by @lmmentel in #139
- Improve element not found by @Vi-L in #142
- Bump pillow from 10.2.0 to 10.3.0 by @dependabot in #143
- Bump idna from 3.6 to 3.7 by @dependabot in #144
- Defer loading element data until attribute access by @paulromano in #121
New Contributors
Full Changelog: v0.15.0...v0.16.0